NASymmetry

Non-Abelian Symmetry

A rough start to implementing non-abelian symmetry into electronic structure code. Make sure to have Psi4!

Setup

These are the steps to build libmsym and its Python bindings and also add the Python bindings to PYTHONPATH. Most of this is taken from the libmsym page. Hopefully I am not violating any licenses.

  git clone https://github.com/sgoodlett/NASymmetry.git
  cd NASymmetry
  cd libmsym
  mkdir build
  cd build
  cmake -DBUILD_SHARED_LIBS:BOOL=ON -DMSYM_BUILD_EXAMPLES:BOOL=ON ../.
  make
  sudo make install
  cd ../bindings/python
  python setup.py install --user
  cd ../../../
  ./exp_var.sh